CID 91794

56292-11-6

Structural Information

Molecular Formula
C7H12O6
SMILES
C1OC(C(O1)C(C=O)O)C(CO)O
InChI
InChI=1S/C7H12O6/c8-1-4(10)6-7(5(11)2-9)13-3-12-6/h1,4-7,9-11H,2-3H2
InChIKey
PUFGZTGHLMWPQI-UHFFFAOYSA-N
Compound name
2-[5-(1,2-dihydroxyethyl)-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06339 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.070666 139.6
[M+Na]+ 215.052608 144.6
[M-H]- 191.056114 140.0
[M+NH4]+ 210.097213 155.6
[M+K]+ 231.026548 146.1
[M+H-H2O]+ 175.060650 134.9
[M+HCOO]- 237.061591 155.5
[M+CH3COO]- 251.077241 173.5
[M+Na-2H]- 213.038056 142.1
[M]+ 192.06284142 139.2
[M]- 192.06393858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.